3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide

C20H26ClN3O2 — CID 3611295

IUPAC3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide
SMILESCCCCCCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C20H26ClN3O2/c1-2-3-4-5-6-14-22-19(25)13-15-24-20(26)12-11-18(23-24)16-7-9-17(21)10-8-16/h7-12H,2-6,13-15H2,1H3,(H,22,25)
InChIKeyVHVBDJXUGMZRBV-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.04
Rot. Bonds10

About 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide

3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide (PubChem CID 3611295) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide
PubChem CID3611295
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide
SMILESCCCCCCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C20H26ClN3O2/c1-2-3-4-5-6-14-22-19(25)13-15-24-20(26)12-11-18(23-24)16-7-9-17(21)10-8-16/h7-12H,2-6,13-15H2,1H3,(H,22,25)
InChIKeyVHVBDJXUGMZRBV-UHFFFAOYSA-N
XLogP4.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide (CID 3611295) is 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide is CCCCCCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide?
The InChIKey is VHVBDJXUGMZRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-2-3-4-5-6-14-22-19(25)13-15-24-20(26)12-11-18(23-24)16-7-9-17(21)10-8-16/h7-12H,2-6,13-15H2,1H3,(H,22,25).
What are the key properties of 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide?
3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide has a molecular weight of 375.90 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-heptylpropanamide is sourced from PubChem (CID 3611295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).